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Compile Data Set for Download or QSAR

Found 1092 hits with Last Name = 'imada' and Initial = 'h'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258896
PNG
(CHEMBL4060569 | US11419874, TAK-915)
Show SMILES COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin)

J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
BindingDB Entry DOI: 10.7270/Q2TT4TD5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107767
PNG
(US11419874, PF-05180999 | US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin)

J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
BindingDB Entry DOI: 10.7270/Q2TT4TD5
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107767
PNG
(US11419874, PF-05180999 | US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258930
PNG
(CHEMBL4102321)
Show SMILES COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F3N4O5/c1-29-10-15(11-3-5-12(6-4-11)31-19(20,21)22)25-18(28)26-9-16(27)24-14-7-13(30-2)8-23-17(14)26/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)/t15-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258926
PNG
(CHEMBL4064402)
Show SMILES COCC(NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N4O5/c1-29-10-15(11-3-5-12(6-4-11)31-19(20,21)22)25-18(28)26-9-16(27)24-14-7-13(30-2)8-23-17(14)26/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258929
PNG
(CHEMBL4072982)
Show SMILES COCC(NC(=O)N1CC(=O)Nc2cc(cnc12)C1CC1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N4O4/c1-31-11-17(13-4-6-15(7-5-13)32-21(22,23)24)27-20(30)28-10-18(29)26-16-8-14(12-2-3-12)9-25-19(16)28/h4-9,12,17H,2-3,10-11H2,1H3,(H,26,29)(H,27,30)
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n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88314
PNG
(US9695118, 202)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@@H](CNC)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28Cl2F3N3O3S/c1-3-36(34,35)22-5-4-18(25)8-17(22)12-31-23(33)16-9-20(24(27,28)29)19(21(26)10-16)14-32-7-6-15(13-32)11-30-2/h4-5,8-10,15,30H,3,6-7,11-14H2,1-2H3,(H,31,33)/t15-/m0/s1
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n/an/a 4.60n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin) using [3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Tryptase beta-2


(Homo sapiens (Human))		BDBM50184499
PNG
(CHEMBL208638 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C22H26ClN3O2S/c23-22-20-6-2-1-5-19(20)11-12-21(22)29(27,28)26-15-14-25-13-3-4-17-7-9-18(16-24)10-8-17/h1-2,5-12,25-26H,3-4,13-16,24H2
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n/an/a 5n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase

Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77638
PNG
(US9695118, 161)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](N)C2)c(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C23H27ClF3N3O4S/c1-2-35(32,33)21-8-7-18(24)10-17(21)12-29-22(31)15-5-6-16(20(11-15)34-23(25,26)27)13-30-9-3-4-19(28)14-30/h5-8,10-11,19H,2-4,9,12-14,28H2,1H3,(H,29,31)/t19-/m0/s1
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n/an/a 6.5n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88312
PNG
(US9695118, 200)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28Cl2F3N3O3S/c1-3-36(34,35)22-7-6-17(25)9-16(22)12-31-23(33)15-10-20(24(27,28)29)19(21(26)11-15)14-32-8-4-5-18(13-32)30-2/h6-7,9-11,18,30H,3-5,8,12-14H2,1-2H3,(H,31,33)/t18-/m0/s1
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n/an/a 6.70n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258894
PNG
(CHEMBL4067117)
Show SMILES COCC(NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O4/c1-29-10-15(11-3-5-12(6-4-11)19(20,21)22)25-18(28)26-9-16(27)24-14-7-13(30-2)8-23-17(14)26/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 7.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged PDE2A3 expressed in fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mi...

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258894
PNG
(CHEMBL4067117)
Show SMILES COCC(NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O4/c1-29-10-15(11-3-5-12(6-4-11)19(20,21)22)25-18(28)26-9-16(27)24-14-7-13(30-2)8-23-17(14)26/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 7.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88311
PNG
(US9695118, 199)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](N)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26Cl2F3N3O3S/c1-2-35(33,34)21-6-5-16(24)8-15(21)11-30-22(32)14-9-19(23(26,27)28)18(20(25)10-14)13-31-7-3-4-17(29)12-31/h5-6,8-10,17H,2-4,7,11-13,29H2,1H3,(H,30,32)/t17-/m0/s1
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n/an/a 7.40n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM286684
PNG
(7-((R)-3-Amino-pyrrolidin-1-ylmethyl)-3-(5-chloro-...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2cc(CN3CC[C@@H](N)C3)c(cc2c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H24ClF3N4O4S/c1-2-36(34,35)20-4-3-15(24)7-14(20)11-31-21(32)17-9-18(23(25,26)27)13(8-19(17)29-22(31)33)10-30-6-5-16(28)12-30/h3-4,7-9,16H,2,5-6,10-12,28H2,1H3,(H,29,33)/t16-/m1/s1
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n/an/a 7.90n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporatio...

US Patent US9567304 (2017)


BindingDB Entry DOI: 10.7270/Q2FN1871
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258923
PNG
(CHEMBL4085207)
Show SMILES COCC(NC(=O)N1CC(=O)Nc2cc(C)cnc12)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N4O4/c1-11-7-14-17(23-8-11)26(9-16(27)24-14)18(28)25-15(10-29-2)12-3-5-13(6-4-12)30-19(20,21)22/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 8.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77182
PNG
(US9695118, 22)
Show SMILES CCSc1ccc(F)cc1NNC(=O)c1cccc(c1)C(F)(F)F |$;;;;;;;;;;HN;;;;;;;;;;;;;$|
Show InChI InChI=1S/C16H14F4N2OS/c1-2-24-14-7-6-12(17)9-13(14)21-22-15(23)10-4-3-5-11(8-10)16(18,19)20/h3-9,21H,2H2,1H3,(H,22,23)
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n/an/a 9n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88242
PNG
(US9695118, 633)
Show SMILES CCS(=O)(=O)c1c(C)cc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H30Cl2F3N3O3S/c1-4-37(35,36)23-15(2)8-18(26)9-17(23)12-32-24(34)16-10-21(25(28,29)30)20(22(27)11-16)14-33-7-5-6-19(13-33)31-3/h8-11,19,31H,4-7,12-14H2,1-3H3,(H,32,34)/t19-/m0/s1
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n/an/a 9.10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88316
PNG
(US9695118, 222)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCC[C@H](N)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26BrClF3N3O3S/c1-2-35(33,34)21-6-5-16(25)8-15(21)11-30-22(32)14-9-19(23(26,27)28)18(20(24)10-14)13-31-7-3-4-17(29)12-31/h5-6,8-10,17H,2-4,7,11-13,29H2,1H3,(H,30,32)/t17-/m0/s1
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n/an/a 9.20n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50080409
PNG
(CHEMBL3422020 | US9695118, 43)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H27ClF3N3O3S/c1-3-34(32,33)21-7-6-19(24)12-18(21)14-28-22(31)16-4-5-17(20(13-16)23(25,26)27)15-30-10-8-29(2)9-11-30/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,28,31)
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n/an/a 9.70n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM286640
PNG
(7-((R)-3-Amino-pyrrolidin-1-ylmethyl)-8-bromo-3-(5...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2c(Br)c(CN3CC[C@@H](N)C3)c(cc2c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H23BrClF3N4O4S/c1-2-37(35,36)18-4-3-13(25)7-12(18)9-32-21(33)15-8-17(23(26,27)28)16(11-31-6-5-14(29)10-31)19(24)20(15)30-22(32)34/h3-4,7-8,14H,2,5-6,9-11,29H2,1H3,(H,30,34)/t14-/m1/s1
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n/an/a 9.80n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporatio...

US Patent US9567304 (2017)


BindingDB Entry DOI: 10.7270/Q2FN1871
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88309
PNG
(US9695118, 197)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](N)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26Cl2F3N3O3S/c1-2-35(33,34)21-6-5-16(24)8-15(21)11-30-22(32)14-9-19(23(26,27)28)18(20(25)10-14)13-31-7-3-4-17(29)12-31/h5-6,8-10,17H,2-4,7,11-13,29H2,1H3,(H,30,32)/t17-/m1/s1
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n/an/a 9.90n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88310
PNG
(US9695118, 198)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](C2)NC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28Cl2F3N3O3S/c1-3-36(34,35)22-7-6-17(25)9-16(22)12-31-23(33)15-10-20(24(27,28)29)19(21(26)11-15)14-32-8-4-5-18(13-32)30-2/h6-7,9-11,18,30H,3-5,8,12-14H2,1-2H3,(H,31,33)/t18-/m1/s1
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n/an/a 9.90n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77664
PNG
(US9695118, 192)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@H](C2)N(C)C)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28Cl2F3N3O3S/c1-4-36(34,35)22-6-5-17(25)9-16(22)12-30-23(33)15-10-20(24(27,28)29)19(21(26)11-15)14-32-8-7-18(13-32)31(2)3/h5-6,9-11,18H,4,7-8,12-14H2,1-3H3,(H,30,33)/t18-/m1/s1
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n/an/a 9.90n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50026821
PNG
(CHEMBL3331521 | US11419874, Example 10 | US9669035...)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin)

J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
BindingDB Entry DOI: 10.7270/Q2TT4TD5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88267
PNG
(US9695118, 683)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCOC3(CNC3)C2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26Cl2F3N3O4S/c1-2-37(34,35)21-4-3-17(25)7-16(21)10-31-22(33)15-8-19(24(27,28)29)18(20(26)9-15)11-32-5-6-36-23(14-32)12-30-13-23/h3-4,7-9,30H,2,5-6,10-14H2,1H3,(H,31,33)
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88276
PNG
(US9695118, 707)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCCC3(CCCCN3)C2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H32Cl2F3N3O3S/c1-2-39(37,38)24-7-6-20(28)12-19(24)15-33-25(36)18-13-22(27(30,31)32)21(23(29)14-18)16-35-11-5-9-26(17-35)8-3-4-10-34-26/h6-7,12-14,34H,2-5,8-11,15-17H2,1H3,(H,33,36)
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77688
PNG
(US9695118, 220 | US9695118, 221)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CC[C@@H](CN)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26BrClF3N3O3S/c1-2-35(33,34)21-4-3-17(25)7-16(21)11-30-22(32)15-8-19(23(26,27)28)18(20(24)9-15)13-31-6-5-14(10-29)12-31/h3-4,7-9,14H,2,5-6,10-13,29H2,1H3,(H,30,32)/t14-/m0/s1
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88313
PNG
(US9695118, 201)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@@H](CN)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26Cl2F3N3O3S/c1-2-35(33,34)21-4-3-17(24)7-16(21)11-30-22(32)15-8-19(23(26,27)28)18(20(25)9-15)13-31-6-5-14(10-29)12-31/h3-4,7-9,14H,2,5-6,10-13,29H2,1H3,(H,30,32)/t14-/m0/s1
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88317
PNG
(US9695118, 223 | US9695118, 229)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CC[C@@H](CNC)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28BrClF3N3O3S/c1-3-36(34,35)22-5-4-18(26)8-17(22)12-31-23(33)16-9-20(24(27,28)29)19(21(25)10-16)14-32-7-6-15(13-32)11-30-2/h4-5,8-10,15,30H,3,6-7,11-14H2,1-2H3,(H,31,33)/t15-/m0/s1
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77680
PNG
(US9695118, 208)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)N(C)C)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H30Cl2F3N3O3S/c1-4-37(35,36)23-8-7-18(26)10-17(23)13-31-24(34)16-11-21(25(28,29)30)20(22(27)12-16)15-33-9-5-6-19(14-33)32(2)3/h7-8,10-12,19H,4-6,9,13-15H2,1-3H3,(H,31,34)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77663
PNG
(US9695118, 191)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@@H](N)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24Cl2F3N3O3S/c1-2-34(32,33)20-4-3-15(23)7-14(20)10-29-21(31)13-8-18(22(25,26)27)17(19(24)9-13)12-30-6-5-16(28)11-30/h3-4,7-9,16H,2,5-6,10-12,28H2,1H3,(H,29,31)/t16-/m1/s1
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n/an/a 10n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM401184
PNG
(8-Chloro-3-[(5-chloro-2-ethylsulfonylphenyl)methyl...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1cnc2c(Cl)c(CN3CC[C@@H](CNC)C3)c(cc2c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H27Cl2F3N4O3S/c1-3-38(36,37)21-5-4-17(26)8-16(21)12-34-14-32-23-18(24(34)35)9-20(25(28,29)30)19(22(23)27)13-33-7-6-15(11-33)10-31-2/h4-5,8-9,14-15,31H,3,6-7,10-13H2,1-2H3/t15-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research



Assay Description
DDR1 binding activity was measured using the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporati...

Bioorg Med Chem 17: 1663-70 (2009)


BindingDB Entry DOI: 10.7270/Q2Z03BGV
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88272
PNG
(US9695118, 702)
Show SMILES CCS(=O)(=O)c1ccc(C)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H31ClF3N3O3S/c1-4-36(34,35)23-8-7-16(2)10-18(23)13-31-24(33)17-11-21(25(27,28)29)20(22(26)12-17)15-32-9-5-6-19(14-32)30-3/h7-8,10-12,19,30H,4-6,9,13-15H2,1-3H3,(H,31,33)/t19-/m0/s1
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n/an/a 11n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88308
PNG
(US9695118, 196)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@H](C2)NC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26Cl2F3N3O3S/c1-3-35(33,34)21-5-4-16(24)8-15(21)11-30-22(32)14-9-19(23(26,27)28)18(20(25)10-14)13-31-7-6-17(12-31)29-2/h4-5,8-10,17,29H,3,6-7,11-13H2,1-2H3,(H,30,32)/t17-/m1/s1
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n/an/a 11n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88151
PNG
(US9695118, 410)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NCCN)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H31Cl2F3N4O3S/c1-2-38(36,37)23-6-5-18(26)10-17(23)13-33-24(35)16-11-21(25(28,29)30)20(22(27)12-16)15-34-9-3-4-19(14-34)32-8-7-31/h5-6,10-12,19,32H,2-4,7-9,13-15,31H2,1H3,(H,33,35)/t19-/m0/s1
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n/an/a 11n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM286685
PNG
(3-(5-Chloro-2-ethanesulfonyl-benzyl)-7-((R)-3-dime...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2cc(CN3CC[C@H](C3)N(C)C)c(cc2c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H28ClF3N4O4S/c1-4-38(36,37)22-6-5-17(26)9-16(22)13-33-23(34)19-11-20(25(27,28)29)15(10-21(19)30-24(33)35)12-32-8-7-18(14-32)31(2)3/h5-6,9-11,18H,4,7-8,12-14H2,1-3H3,(H,30,35)/t18-/m1/s1
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n/an/a 11n/an/an/an/an/a25



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporatio...

US Patent US9567304 (2017)


BindingDB Entry DOI: 10.7270/Q2FN1871
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM401038
PNG
(A-12 | US10005739, Example 164)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Nn1cnc2c(Cl)cc(cc2c1=O)C(F)(F)F
Show InChI InChI=1S/C17H12Cl2F3N3O3S/c1-2-29(27,28)14-4-3-10(18)7-13(14)24-25-8-23-15-11(16(25)26)5-9(6-12(15)19)17(20,21)22/h3-8,24H,2H2,1H3
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Wyeth Research



Assay Description
DDR1 binding activity was measured using the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporati...

Bioorg Med Chem 17: 1663-70 (2009)


BindingDB Entry DOI: 10.7270/Q2Z03BGV
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM286718
PNG
(7-((R)-3-Amino-pyrrolidin-1-ylmethyl)-6-bromo-3-(5...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2cc(CN3CC[C@@H](N)C3)c(Br)cc2c1=O |r|
Show InChI InChI=1S/C22H24BrClN4O4S/c1-2-33(31,32)20-4-3-15(24)7-14(20)11-28-21(29)17-9-18(23)13(8-19(17)26-22(28)30)10-27-6-5-16(25)12-27/h3-4,7-9,16H,2,5-6,10-12,25H2,1H3,(H,26,30)/t16-/m1/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporatio...

US Patent US9567304 (2017)


BindingDB Entry DOI: 10.7270/Q2FN1871
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM286724
PNG
(7-((S)-3- Aminomethyl- pyrrolidin-1- ylmethyl)-6-b...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2cc(CN3CC[C@@H](CN)C3)c(Br)cc2c1=O |r|
Show InChI InChI=1S/C23H26BrClN4O4S/c1-2-34(32,33)21-4-3-17(25)7-16(21)13-29-22(30)18-9-19(24)15(8-20(18)27-23(29)31)12-28-6-5-14(10-26)11-28/h3-4,7-9,14H,2,5-6,10-13,26H2,1H3,(H,27,31)/t14-/m0/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporatio...

US Patent US9567304 (2017)


BindingDB Entry DOI: 10.7270/Q2FN1871
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88299
PNG
(US9695118, 86)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCCC[C@@H]2NC(=O)CNC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H32ClF3N4O4S/c1-3-39(37,38)22-10-9-20(27)12-19(22)14-32-25(36)17-7-8-18(21(13-17)26(28,29)30)16-34-11-5-4-6-23(34)33-24(35)15-31-2/h7-10,12-13,23,31H,3-6,11,14-16H2,1-2H3,(H,32,36)(H,33,35)/t23-/m1/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88158
PNG
(US9695118, 428)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCCC[C@@H]2CN)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28Cl2F3N3O3S/c1-2-36(34,35)22-7-6-17(25)9-16(22)13-31-23(33)15-10-20(24(27,28)29)19(21(26)11-15)14-32-8-4-3-5-18(32)12-30/h6-7,9-11,18H,2-5,8,12-14,30H2,1H3,(H,31,33)/t18-/m1/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77364
PNG
(US9695118, 92)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H29ClF3N3O3S/c1-3-35(33,34)22-9-8-19(25)11-18(22)13-30-23(32)16-6-7-17(21(12-16)24(26,27)28)14-31-10-4-5-20(15-31)29-2/h6-9,11-12,20,29H,3-5,10,13-15H2,1-2H3,(H,30,32)/t20-/m0/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77248
PNG
(US9695118, 44)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31ClF3N3O3S/c1-4-36(34,35)23-8-7-21(26)13-20(23)15-30-24(33)18-5-6-19(22(14-18)25(27,28)29)16-31-9-11-32(12-10-31)17(2)3/h5-8,13-14,17H,4,9-12,15-16H2,1-3H3,(H,30,33)
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM286641
PNG
(7-((S)-3-Aminomethyl-pyrrolidin-1-ylmethyl)-8-brom...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2c(Br)c(CN3CC[C@@H](CN)C3)c(cc2c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H25BrClF3N4O4S/c1-2-38(36,37)19-4-3-15(26)7-14(19)11-33-22(34)16-8-18(24(27,28)29)17(20(25)21(16)31-23(33)35)12-32-6-5-13(9-30)10-32/h3-4,7-8,13H,2,5-6,9-12,30H2,1H3,(H,31,35)/t13-/m0/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporatio...

US Patent US9567304 (2017)


BindingDB Entry DOI: 10.7270/Q2FN1871
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM401230
PNG
(7-[[(3S)-3-Aminopiperidin-1-yl]methyl]-3-[(5-chlor...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1cnc2cc(CN3CCC[C@H](N)C3)c(cc2c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H26ClF3N4O3S/c1-2-36(34,35)22-6-5-17(25)8-16(22)12-32-14-30-21-9-15(11-31-7-3-4-18(29)13-31)20(24(26,27)28)10-19(21)23(32)33/h5-6,8-10,14,18H,2-4,7,11-13,29H2,1H3/t18-/m0/s1
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Wyeth Research



Assay Description
DDR1 binding activity was measured using the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporati...

Bioorg Med Chem 17: 1663-70 (2009)


BindingDB Entry DOI: 10.7270/Q2Z03BGV
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM401041
PNG
(8-Chloro-3-(5-chloro-2-ethylsulfonylanilino)-6-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Nn1cnc2c(Cl)cc(OC(F)(F)F)cc2c1=O
Show InChI InChI=1S/C17H12Cl2F3N3O4S/c1-2-30(27,28)14-4-3-9(18)5-13(14)24-25-8-23-15-11(16(25)26)6-10(7-12(15)19)29-17(20,21)22/h3-8,24H,2H2,1H3
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Assay Description
DDR1 binding activity was measured using the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporati...

Bioorg Med Chem 17: 1663-70 (2009)


BindingDB Entry DOI: 10.7270/Q2Z03BGV
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM77255
PNG
(US9695118, 52)
Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](N)C2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-33(31,32)20-6-5-17(23)9-16(20)11-28-21(30)14-3-4-15(19(10-14)22(24,25)26)12-29-8-7-18(27)13-29/h3-6,9-10,18H,2,7-8,11-13,27H2,1H3,(H,28,30)/t18-/m1/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM88155
PNG
(US9695118, 423)
Show SMILES CCN[C@H]1CCCN(Cc2c(Cl)cc(cc2C(F)(F)F)C(=O)NCc2cc(Cl)ccc2S(=O)(=O)CC)C1 |r|
Show InChI InChI=1S/C25H30Cl2F3N3O3S/c1-3-31-19-6-5-9-33(14-19)15-20-21(25(28,29)30)11-16(12-22(20)27)24(34)32-13-17-10-18(26)7-8-23(17)37(35,36)4-2/h7-8,10-12,19,31H,3-6,9,13-15H2,1-2H3,(H,32,34)/t19-/m0/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation)...

US Patent US9695118 (2017)


BindingDB Entry DOI: 10.7270/Q2736P1T
More data for this
Ligand-Target Pair
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